N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C19H16N2O4 — CID 3232242

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H16N2O4/c1-12-3-2-4-14(7-12)18-17(21-10-23-18)19(22)20-9-13-5-6-15-16(8-13)25-11-24-15/h2-8,10H,9,11H2,1H3,(H,20,22)
InChIKeyJLLPHRVVWMJEKH-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.31
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3232242) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3232242
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H16N2O4/c1-12-3-2-4-14(7-12)18-17(21-10-23-18)19(22)20-9-13-5-6-15-16(8-13)25-11-24-15/h2-8,10H,9,11H2,1H3,(H,20,22)
InChIKeyJLLPHRVVWMJEKH-UHFFFAOYSA-N
XLogP3.31
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 46949198
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 20963749
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976431
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 38156912
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096840
N-(1,3-benzodioxol-5-ylmethyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109349378
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 3232242) is N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JLLPHRVVWMJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-3-2-4-14(7-12)18-17(21-10-23-18)19(22)20-9-13-5-6-15-16(8-13)25-11-24-15/h2-8,10H,9,11H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).